SCHEMBL13806012

SCHEMBL13806012

Cc1ccnc(C2(c3ccccc3)CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ HSD11B2 P80365 2/20 0.35
▸ OPRM1 P35372 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27821749 0.75 COMT (0.35) ALOX5AP
SCHEMBL1939609 0.74 CDK4 (0.43) KDM4EMEN1KMT2AALOX5APALDH1A1
SCHEMBL28569989 0.72 CYP2A6 (0.46) KDM4EMEN1KMT2AALOX5APNPSR1
SCHEMBL27945168 0.71 — —
SCHEMBL16675866 0.70 HDAC6 (0.37) MEN1KMT2AALOX5APCYP2C9HTR2A
SCHEMBL827795 0.70 OPRM1 (0.61) MEN1KMT2ACYP2C9HTR2AALDH1A1
SCHEMBL13782273 0.70 ALOX15 (0.33) KDM4EKMT2AALDH1A1NPSR1
Ethane SCHEMBL27580685 0.68 OPRM1 (0.54) MEN1KMT2ACYP2C9ALDH1A1OPRM1
SCHEMBL30997796 0.68 ALOX15 (0.32) KDM4EKMT2ANPSR1
SCHEMBL6985863 0.68 ALDH1A1 (0.46) KDM4EMEN1KMT2AALOX5APALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 — — US disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — US disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD KDM4E 2761/4885MEN1 1564/4885KMT2A 4193/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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